CLEMATINE

Structure

2D structure of CLEMATINE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js.

Names and identifiers

Name

CLEMATINE

IUPAC name

5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2S,3S,4S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)chroman-4-one

SMILES

COC1=CC(C2CC(C3=C(O)C=C(O[C@@H]4O[C@H](CO[C@@H]5[C@@H](O)[C@@H](O)C(O)[C@@H](C)O5)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)=O)=CC=C1O

General information

Molecular formula

C28H34O15

Molecular weight

610.57 g/mol

Monoisotopic mass

610.1898 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Clematis vitalba L. - -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.